![3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](/static/products/1214/1214236-37-9.webp)
3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
TL;DR: 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214236-37-9) is a chemical compound with molecular formula C22H18ClFN2O8S and molecular weight 524.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetyloxymethyl)-7-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetyloxymethyl)-7-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(ACETYLOXY)METHYL]-7-[({5-[(2-CHLORO-4-FLUOROPHENOXY)METHYL]-2-FURYL}CARBONYL)AMINO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, 3-[(acetyloxy)methyl]-7-[({5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C22H18ClFN2O8S |
|---|---|
| Molecular Weight | 524.05 g/mol |
| LogP | 2.5664 |
| Topological Polar Surface Area | 135.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.04565 |
| Heavy Atoms | 35 |
| Complexity | 1245.7941 |
Chemical Identifiers
| CAS Number | 1214236-37-9 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)F)Cl)SC1)C(=O)O |
Product Overview
3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS 1214236-37-9), with molecular formula C22H18ClFN2O8S and molecular weight 524.05 g/mol. IUPAC: 3-(acetyloxymethyl)-7-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Property Insights of 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
The XLogP value of 2.5664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. The TPSA of 135.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The CAS number of 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 1214236-37-9.
What is the molecular formula of 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular formula of 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is C22H18ClFN2O8S.
What is the molecular weight of 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
The molecular weight of 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is 524.05 g/mol.
Where can I buy 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
You can request a quote for 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(acetoxymethyl)-7-(5-((2-chloro-4-fluorophenoxy)methyl)furan-2-carboxamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.